2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol

C23H28N4O2 — CID 10150658

IUPAC2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol
SMILESCc1ccc2c(OCCN3CCN(Cc4ccc(O)c(N)c4)CC3)cccc2n1
InChIInChI=1S/C23H28N4O2/c1-17-5-7-19-21(25-17)3-2-4-23(19)29-14-13-26-9-11-27(12-10-26)16-18-6-8-22(28)20(24)15-18/h2-8,15,28H,9-14,16,24H2,1H3
InChIKeyNTWRIBWXGNMFKE-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.03
Rot. Bonds6

About 2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol

2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol (PubChem CID 10150658) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol
PubChem CID10150658
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol
SMILESCc1ccc2c(OCCN3CCN(Cc4ccc(O)c(N)c4)CC3)cccc2n1
InChIInChI=1S/C23H28N4O2/c1-17-5-7-19-21(25-17)3-2-4-23(19)29-14-13-26-9-11-27(12-10-26)16-18-6-8-22(28)20(24)15-18/h2-8,15,28H,9-14,16,24H2,1H3
InChIKeyNTWRIBWXGNMFKE-UHFFFAOYSA-N
XLogP3.03
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol?
The IUPAC name of 2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol (CID 10150658) is 2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol is Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(N)c4)CC3)cccc2n1.
What is the InChIKey of 2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol?
The InChIKey is NTWRIBWXGNMFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-5-7-19-21(25-17)3-2-4-23(19)29-14-13-26-9-11-27(12-10-26)16-18-6-8-22(28)20(24)15-18/h2-8,15,28H,9-14,16,24H2,1H3.
What are the key properties of 2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol?
2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol has a molecular weight of 392.50 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 10150658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).